Menu

[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Formula:C24H18N2O4ClF3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate is not a drug-like molecule.
MolName[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
MolecularFormulaC24H18N2O4ClF3S2
SmilesO=C(COC(CCN(C(/C(/S1)=C\C=C\c2ccccc2)=O)C1=S)=O)Nc(cc(C(F)(F)F)cc1)c1Cl
InChIInChI=1S/C24H18ClF3N2O4S2/c25-17-10-9-16(24(26,27)28)13-18(17)29-20(31)14-34-21(32)11-12-30-22(33)19(36-23(30)35)8-4-7-15-5-2-1-3-6-15/h1-10,13H,11-12,14H2,(H,29,31)
InChIKAPYGXOMQNLAHFZ-UHFFFAOYSA-N
TotalMolweight554.996
Molweight554.996
MonoisotopicMass554.034859
CLogP4.3127
CLogS-6.411
H Acceptors6
H Donors1
TotalSurfaceArea392.1
Relative PSA0.27957
PolarSurfaceArea133.1
Druglikeness-2.0891
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.61111
Fragments1
Non HAtoms36
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond10
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms7
Symmetricatoms4
Amides2
StereoCon

Request More Details | [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments